[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2792-o2793
[ doi:10.1107/S1600536812035684 ]

Bis(dicyclohexylaminium) 2-carboxymethyl-2-hydroxysuccinate ethanol monosolvate

M. Foroughian, B. Notash, A. Shafiee, H. Aghabozorg and A. Foroumadi


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT411_ALERT_2_C Short Inter H...H Contact H29A .. H32C .. 2.11 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 10.616 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.178 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 4 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 29 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 2
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.03000 Deg. PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 2 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 195 O8B -C32 -H32A 1.555 1.555 1.555 41.30 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 206 H32B -C32 -H32C 1.555 1.555 1.555 36.90 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 208 O8A -C32 -H32D 1.555 1.555 1.555 27.00 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 213 C32 -O8A -H32D 1.555 1.555 1.555 42.00 Deg. PLAT793_ALERT_4_G The Model has Chirality at C27 (Verify) .... S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 40
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 13 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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